AlphaFold2 revolutionized structural biology with the ability to predict protein structures with exceptionally high accuracy. Its implementation, however, lacks the code and data required to train new models. These are necessary to (1) tackle new tasks, like protein–ligand complex structure prediction, (2) investigate the process by which the model learns and (3) assess the model’s capacity to generalize to unseen regions of fold space. Here we report OpenFold, a fast, memory efficient and trainable implementation of AlphaFold2. We train OpenFold from scratch, matching the accuracy of AlphaFold2. Having established parity, we find that OpenFold is remarkably robust at generalizing even when the size and diversity of its training set is deliberately limited, including near-complete elisions of classes of secondary structure elements. By analyzing intermediate structures produced during training, we also gain insights into the hierarchical manner in which OpenFold learns to fold. In sum, our studies demonstrate the power and utility of OpenFold, which we believe will prove to be a crucial resource for the protein modeling community. OpenFold is a trainable open-source implementation of AlphaFold2. It is fast and memory efficient, and the code and training data are available under a permissive license.

This paper introduces LLM-jp, a cross-organizational project for the research and development of Japanese large language models (LLMs). LLM-jp aims to develop open-source and strong Japanese LLMs, and as of this writing, more than 1,500 participants from academia and industry are working together for this purpose. This paper presents the background of the establishment of LLM-jp, summaries of its activities, and technical reports on the LLMs developed by LLM-jp. For the latest activities, visit https://llm-jp.nii.ac.jp/en/.

In the upcoming decade, deep learning may revolutionize the natural sciences, enhancing our capacity to model and predict natural occurrences. This could herald a new era of scientific exploration, bringing significant advancements across sectors from drug development to renewable energy. To answer this call, we present DeepSpeed4Science initiative (deepspeed4science.ai) which aims to build unique capabilities through AI system technology innovations to help domain experts to unlock today's biggest science mysteries. By leveraging DeepSpeed's current technology pillars (training, inference and compression) as base technology enablers, DeepSpeed4Science will create a new set of AI system technologies tailored for accelerating scientific discoveries by addressing their unique complexity beyond the common technical approaches used for accelerating generic large language models (LLMs). In this paper, we showcase the early progress we made with DeepSpeed4Science in addressing two of the critical system challenges in structural biology research.

Recently, Mixture-of-Experts (MoE) has demonstrated success in scaling models to have large amounts of parameters without significant increases in computational cost. However, MoEs have been also reported to be parameter inefficient such that larger models do not always lead to better performance. In this work, we study how to build parameter-efficient MoE models. Our analysis identifies that MoE layers exhibit poor gradient flow as the number of experts increases, leading to insufficient training of experts. To overcome this issue, we propose a new MoE architecture design (SaMoE), which improves the parameter efficiency of MoE models by learning a soft combination of a global set of expert layers for each MoE layer. Such a scheme enables substantial parameter savings on MoE while achieving comparable or better accuracy than the standard MoE training baseline. Extensive experiments on billion-scale GPT-3 style autoregressive MoE language models demonstrate that SaMoE significantly improves the parameter efficiency of MoE models by reducing up to 5.2X total parameters while obtaining superior pre-training and zero-shot generalization results as compared to baseline.

ChatGPT-like models have revolutionized various applications in artificial intelligence, from summarization and coding to translation, matching or even surpassing human performance. However, the current landscape lacks an accessible, efficient, and cost-effective end-to-end RLHF (Reinforcement Learning with Human Feedback) training pipeline for these powerful models, particularly when training at the scale of billions of parameters. This paper introduces DeepSpeed-Chat, a novel system that democratizes RLHF training, making it accessible to the AI community. DeepSpeed-Chat offers three key capabilities: an easy-to-use training and inference experience for ChatGPT-like models, a DeepSpeed-RLHF pipeline that replicates the training pipeline from InstructGPT, and a robust DeepSpeed-RLHF system that combines various optimizations for training and inference in a unified way. The system delivers unparalleled efficiency and scalability, enabling training of models with hundreds of billions of parameters in record time and at a fraction of the cost. With this development, DeepSpeed-Chat paves the way for broader access to advanced RLHF training, even for data scientists with limited resources, thereby fostering innovation and further development in the field of AI.

1-bit gradient compression and local steps are two representative techniques that enable drastic communication reduction in distributed SGD. Their benefits, however, remain an open question on Adam-based large model pre-training (e.g. BERT and GPT). In this paper, we demonstrate the non-linearity in Adam causes slow convergence even when 1-bit compression or local steps are individually applied. To alleviate this limitation, we propose 0/1 Adam that linearizes each Adam step via approximating its optimizer states using their stale estimates and linear correlation. 0/1 Adam performs an Adam-like step to preserve the adaptivity, while its linearity allows utilizing 1-bit compression and local steps simultaneously for wall-clock time speed up. We provide convergence guarantee for 0/1 Adam on smooth non-convex objectives. On various large-scale benchmarks such as BERT-Base, BERT-Large, GPT-2 pre-training and ImageNet, we demonstrate on up to 128 GPUs that 0/1 Adam is able to reduce up to 87% of data volume, 54% of communication rounds, and achieve up to 2$\times$ higher training throughput and end-to-end training time reduction compared to the state-of-the-art baseline 1-bit Adam; while enjoying the same statistical convergence speed and end task model accuracy on GLUE dataset and ImageNet validation set.

Large-scale transformer models have become the de-facto architectures for various machine learning applications, e.g., CV and NLP. However, those large models also introduce prohibitive training costs. To mitigate this issue, we propose a novel random and layerwise token dropping method (\OURS), which skips the computation of a subset of the input tokens at all middle layers. Particularly, \OURS achieves considerable speedups and comparable accuracy as the standard training baseline. Compared to other token dropping methods, \OURS does not require (1) any importance score-based metrics, (2) any special token treatment (e.g., \texttt{[CLS]}), and (3) many layers in full sequence length training except the first and the last layers. Besides, a new \layertoken learning rate schedule is proposed for pretraining problems that resolve the heavy tuning requirement for our proposed training mechanism. Finally, we demonstrate that \OURS can be applied to broader applications, including \gpt and \bert pretraining as well as ViT and \gpt finetuning tasks. Our results show that \OURS can save about 33.3\% theoretical compute cost and 25.6\% wall-clock training time while achieving similar zero-shot evaluations on \gptb as compared to baseline.

Most of the existing multi-modal models, hindered by their incapacity to adeptly manage interleaved image-and-text inputs in multi-image, multi-round dialogues, face substantial constraints in resource allocation for training and data accessibility, impacting their adaptability and scalability across varied interaction realms. To address this, we present the DeepSpeed-VisualChat framework, designed to optimize Large Language Models (LLMs) by incorporating multi-modal capabilities, with a focus on enhancing the proficiency of Large Vision and Language Models in handling interleaved inputs. Our framework is notable for (1) its open-source support for multi-round and multi-image dialogues, (2) introducing an innovative multi-modal causal attention mechanism, and (3) utilizing data blending techniques on existing datasets to assure seamless interactions in multi-round, multi-image conversations. Compared to existing frameworks, DeepSpeed-VisualChat shows superior scalability up to 70B parameter language model size, representing a significant advancement in multi-modal language models and setting a solid foundation for future explorations.

Recent advances on deep learning models come at the price of formidable training cost. The increasing model size is one of the root causes, but another less-emphasized fact is that data scale is actually increasing at a similar speed as model scale, and the training cost is proportional to both of them. Compared to the rapidly evolving model architecture, how to efficiently use the training data (especially for the expensive foundation model pretraining) is both less explored and difficult to realize due to the lack of a convenient framework that focus on data efficiency capabilities. To this end, we present DeepSpeed Data Efficiency, a framework that makes better use of data, increases training efficiency, and improves model quality. Specifically, we propose and combine two data efficiency techniques: efficient data sampling via a general curriculum learning library, and efficient data routing via a novel random layerwise token dropping technique. For GPT-3 1.3B language model pretraining, our work achieves 12.5x less data/time/cost ($3.7K if rent on Azure), while still maintaining 95% of model quality compared to baseline with full data and cost ($46.3K). For GPT-3 1.3B and BERT-large pretraining, our work can also achieve the same model quality with up to 2x less data/time/cost, or achieve better model quality under same data/time/cost. DeepSpeed Data Efficiency is easy to use and tune, enabling us to easily apply it and verify its benefit on additional tasks including GPT-3 MoE model pretraining and small-scale GPT-2/ViT finetuning.

As the training of giant dense models hits the boundary on the availability and capability of the hardware resources today, Mixture-of-Experts (MoE) models become one of the most promising model architectures due to their significant training cost reduction compared to a quality-equivalent dense model. Its training cost saving is demonstrated from encoder-decoder models (prior works) to a 5x saving for auto-aggressive language models (this work along with parallel explorations). However, due to the much larger model size and unique architecture, how to provide fast MoE model inference remains challenging and unsolved, limiting its practical usage. To tackle this, we present DeepSpeed-MoE, an end-to-end MoE training and inference solution as part of the DeepSpeed library, including novel MoE architecture designs and model compression techniques that reduce MoE model size by up to 3.7x, and a highly optimized inference system that provides 7.3x better latency and cost compared to existing MoE inference solutions. DeepSpeed-MoE offers an unprecedented scale and efficiency to serve massive MoE models with up to 4.5x faster and 9x cheaper inference compared to quality-equivalent dense models. We hope our innovations and systems help open a promising path to new directions in the large model landscape, a shift from dense to sparse MoE models, where training and deploying higher-quality models with fewer resources becomes more widely possible.

Recent works have demonstrated great success in training high-capacity autoregressive language models (GPT, GPT-2, GPT-3) on a huge amount of unlabeled text corpus for text generation. Despite showing great results, autoregressive models are facing a growing training instability issue. Our study on GPT-2 models (117M and 1.5B parameters) show that larger model sizes, sequence lengths, batch sizes, and learning rates would lead to lower training stability and increasing divergence risks. To avoid divergence and achieve better generalization performance, one has to train with smaller batch sizes and learning rates, which leads to worse training efficiency and longer training time. To overcome this stability-efficiency dilemma, we present a study of a curriculum learning-based approach, which helps improves the pre-training convergence speed of autoregressive models. More importantly, we find that curriculum learning, as a regularization method, exerts a gradient variance reduction effect and enables to train autoregressive models with much larger batch sizes and learning rates without training instability, further improving the training speed. Our evaluations demonstrate that curriculum learning enables training GPT-2 models with 8x larger batch size and 4x larger learning rate, whereas the baseline approach struggles with training divergence. To achieve the same validation perplexity targets during pre-training, curriculum learning reduces the required number of tokens and wall clock time by up to 61% and 49%, respectively. To achieve the same or better zero-shot WikiText-103/LAMBADA evaluation results at the end of pre-training, curriculum learning reduces the required number of tokens and wall clock time by up to 54% and 70%, respectively.

Large-scale transformer models have become the de-facto architectures for various machine learning applications, e.g., CV and NLP. However, those large models also introduce prohibitive training costs. To mitigate this issue, we propose a novel random and layerwise token dropping method (random-LTD), which skips the computation of a subset of the input tokens at all middle layers. Particularly, random-LTD achieves considerable speedups and comparable accuracy as the standard training baseline. Compared to other token dropping methods, random-LTD does not require (1) any importance score-based metrics, (2) any special token treatment (e.g., [CLS]), and (3) many layers in full sequence length training except the first and the last layers. Besides, a new LayerToken learning rate schedule is proposed for pretraining problems that resolve the heavy tuning requirement for our proposed training mechanism. Finally, we demonstrate that random-LTD can be applied to broader applications, including GPT and BERT pretraining as well as ViT and GPT finetuning tasks. Our results show that random-LTD can save about 33.3% theoretical compute cost and 25.6% wall-clock training time while achieving similar zero-shot evaluations on GPT-31.3B as compared to baseline.

Recent works have demonstrated great success in pre-training large-scale autoregressive language models on massive GPUs. To reduce the wall-clock training time, a common practice is to increase the batch size and learning rate. However, such practice is often brittle and leads to a so-called stability-efficiency dilemma: increasing the batch sizes and learning rates leads to better training efficiency but can also result in training instability, leading to poor generalization accuracy or failed runs. To better understand this phenomenon, we conduct an in-depth analysis on large-scale pre-training experiments replicating the GPT-2 model. We find that there is a strong correlation between training instability and extreme values of gradient variance, and that samples with long sequence lengths contribute to these extreme gradient variance values, especially at the beginning of the training, indicating that long sequence length can be a main source of training instability. Based on the analysis, we present a Sequence Length Warmup method that aims to solve the training stability-efficiency dilemma. Experiments replicating GPT-2 models show that our approach enables stable training with 8x larger batch size and 4x larger learning rate, whereas the baseline approach struggles with training instability. To achieve the same or better zero-shot evaluation results, our method reduces the required number of training tokens and wall clock time by up to 2.2x and 3.7x, respectively. Experiments replicating GPT-3 model (125M) show that our approach enables stable training with 8x larger batch size and 40x larger learning rate, and retains 99% of the zero-shot accuracy on 11 tasks using 10x less data and 17x less time compared to the original GPT-3 training recipe, while the baseline diverges under the same settings and only retain 95% of accuracy under lower learning rate.

Extreme compression, particularly ultra-low bit precision (binary/ternary) quantization, has been proposed to fit large NLP models on resource-constraint devices. However, to preserve the accuracy for such aggressive compression schemes, cutting-edge methods usually introduce complicated compression pipelines, e.g., multi-stage expensive knowledge distillation with extensive hyperparameter tuning. Also, they oftentimes focus less on smaller transformer models that have already been heavily compressed via knowledge distillation and lack a systematic study to show the effectiveness of their methods. In this paper, we perform a very comprehensive systematic study to measure the impact of many key hyperparameters and training strategies from previous works. As a result, we find out that previous baselines for ultra-low bit precision quantization are significantly under-trained. Based on our study, we propose a simple yet effective compression pipeline for extreme compression, named XTC. XTC demonstrates that (1) we can skip the pre-training knowledge distillation to obtain a 5-layer BERT while achieving better performance than previous state-of-the-art methods, e.g., the 6-layer TinyBERT; (2) extreme quantization plus layer reduction is able to reduce the model size by 50x, resulting in new state-of-the-art results on GLUE tasks.

To train large machine learning models (like BERT and GPT-3) on hundreds of GPUs, communication has become a significant bottleneck, especially on commodity systems with limited-bandwidth TCP networks. On one side, large batch-size optimization such as the LAMB algorithm was proposed to reduce the frequency of communication. On the other side, communication compression algorithms such as 1-bit Adam help to reduce the volume of each communication. However, we find that simply using one of the techniques is not sufficient to solve the communication challenge, especially under low network bandwidth. Motivated by this we aim to combine the power of large-batch optimization and communication compression but we find that existing compression strategies cannot be directly applied to LAMB due to its unique adaptive layerwise learning rates. To this end, we design a new communication-efficient optimization algorithm, 1-bit LAMB, which introduces a novel way to support adaptive layerwise learning rates under compression. In addition to the algorithm and corresponding theoretical analysis, we propose three novel system implementations in order to achieve actual wall clock speedup: a momentum fusion mechanism to reduce the number of communications, a momentum scaling technique to reduce compression error, and a NCCL-based compressed communication backend to improve both usability and performance. For the BERT-Large pre-training task with batch sizes from 8K to 64K, our evaluations on up to 256 GPUs demonstrate that our optimized implementation of 1-bit LAMB is able to achieve up to 4.6x communication volume reduction, up to 2.8x end-to-end time-wise speedup, and the same sample-wise convergence speed (and same fine-tuning task accuracy) compared to uncompressed LAMB. Furthermore, 1-bit LAMB achieves the same accuracy as LAMB on computer vision tasks like ImageNet and CIFAR100.

How to efficiently serve ever-larger trained natural language models in practice has become exceptionally challenging even for powerful cloud servers due to their prohibitive memory/computation requirements. In this work, we present an efficient and affordable post-training quantization approach to compress large Transformer-based models, termed as ZeroQuant. ZeroQuant is an end-to-end quantization and inference pipeline with three main components: (1) a fine-grained hardware-friendly quantization scheme for both weight and activations; (2) a novel affordable layer-by-layer knowledge distillation algorithm (LKD) even without the access to the original training data; (3) a highly-optimized quantization system backend support to remove the quantization/dequantization overhead. As such, we are able to show that: (1) ZeroQuant can reduce the precision for weights and activations to INT8 in a cost-free way for both BERT and GPT3-style models with minimal accuracy impact, which leads to up to 5.19x/4.16x speedup on those models compared to FP16 inference; (2) ZeroQuant plus LKD affordably quantize the weights in the fully-connected module to INT4 along with INT8 weights in the attention module and INT8 activations, resulting in 3x memory footprint reduction compared to the FP16 model; (3) ZeroQuant can be directly applied to two of the largest open-sourced language models, including GPT-J6B and GPT-NeoX20, for which our INT8 model achieves similar accuracy as the FP16 model but achieves up to 5.2x better efficiency.

Large language models (LLMs) have been shown to be able to perform new tasks based on a few demonstrations or natural language instructions. While these capabilities have led to widespread adoption, most LLMs are developed by resource-rich organizations and are frequently kept from the public. As a step towards democratizing this powerful technology, we present BLOOM, a 176B-parameter open-access language model designed and built thanks to a collaboration of hundreds of researchers. BLOOM is a decoder-only Transformer language model that was trained on the ROOTS corpus, a dataset comprising hundreds of sources in 46 natural and 13 programming languages (59 in total). We find that BLOOM achieves competitive performance on a wide variety of benchmarks, with stronger results after undergoing multitask prompted finetuning. To facilitate future research and applications using LLMs, we publicly release our models and code under the Responsible AI License.

Scalable training of large models (like BERT and GPT-3) requires careful optimization rooted in model design, architecture, and system capabilities. From a system standpoint, communication has become a major bottleneck, especially on commodity systems with standard TCP interconnects that offer limited network bandwidth. Communication compression is an important technique to reduce training time on such systems. One of the most effective methods is error-compensated compression, which offers robust convergence speed even under 1-bit compression. However, state-of-the-art error compensation techniques only work with basic optimizers like SGD and momentum SGD, which are linearly dependent on the gradients. They do not work with non-linear gradient-based optimizers like Adam, which offer state-of-the-art convergence efficiency and accuracy for models like BERT. In this paper, we propose 1-bit Adam that reduces the communication volume by up to $5\times$, offers much better scalability, and provides the same convergence speed as uncompressed Adam. Our key finding is that Adam's variance (non-linear term) becomes stable (after a warmup phase) and can be used as a fixed precondition for the rest of the training (compression phase). Experiments on up to 256 GPUs show that 1-bit Adam enables up to $3.3\times$ higher throughput for BERT-Large pre-training and up to $2.9\times$ higher throughput for SQuAD fine-tuning. In addition, we provide theoretical analysis for our proposed work.

In applications ranging from image search to recommendation systems, the problem of identifying a set of "similar" real-valued vectors to a query vector plays a critical role. However, retrieving these vectors and computing the corresponding similarity scores from a large database is computationally challenging. Approximate nearest neighbor (ANN) search relaxes the guarantee of exactness for efficiency by vector compression and/or by only searching a subset of database vectors for each query. Searching a larger subset increases both accuracy and latency. State-of-the-art ANN approaches use fixed configurations that apply the same termination condition (the size of subset to search) for all queries, which leads to undesirably high latency when trying to achieve the last few percents of accuracy. We find that due to the index structures and the vector distributions, the number of database vectors that must be searched to find the ground-truth nearest neighbor varies widely among queries. Critically, we further identify that the intermediate search result after a certain amount of search is an important runtime feature that indicates how much more search should be performed. To achieve a better tradeoff between latency and accuracy, we propose a novel approach that adaptively determines search termination conditions for individual queries. To do so, we build and train gradient boosting decision tree models to learn and predict when to stop searching for a certain query. These models enable us to achieve the same accuracy with less total amount of search compared to the fixed configurations. We apply the learned adaptive early termination to state-of-the-art ANN approaches, and evaluate the end-to-end performance on three million to billion-scale datasets. Compared with fixed configurations, our approach consistently improves the average end-to-end latency by up to 7.1 times faster under the same high accuracy targets. Our approach is open source at github.com/efficient/faiss-learned-termination.

As video camera deployments continue to grow, the need to process large volumes of real-time data strains wide area network infrastructure. When per-camera bandwidth is limited, it is infeasible for applications such as traffic monitoring and pedestrian tracking to offload high-quality video streams to a datacenter. This paper presents FilterForward, a new edge-to-cloud system that enables datacenter-based applications to process content from thousands of cameras by installing lightweight edge filters that backhaul only relevant video frames. FilterForward introduces fast and expressive per-application microclassifiers that share computation to simultaneously detect dozens of events on computationally constrained edge nodes. Only matching events are transmitted to the cloud. Evaluation on two real-world camera feed datasets shows that FilterForward reduces bandwidth use by an order of magnitude while improving computational efficiency and event detection accuracy for challenging video content.